For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6-keto-1,8-diphenyl-4H-pyrimido[1,2-b][1,2,4,5]tetrazine-3-carboxylic acid ethyl ester
SpectraBase Compound ID 4eyTDWUjGu2
InChI InChI=1S/C20H17N5O3/c1-2-28-19(27)18-22-24(15-11-7-4-8-12-15)20-21-16(13-17(26)25(20)23-18)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,22,23)
InChIKey VSNJCSDBZWADQP-UHFFFAOYSA-N
Mol Weight 375.39 g/mol
Molecular Formula C20H17N5O3
Exact Mass 375.133139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2bSTVvXlE6Q
Name 6-keto-1,8-diphenyl-4H-pyrimido[1,2-b][1,2,4,5]tetrazine-3-carboxylic acid ethyl ester
Alternate Name(s) 6-Oxo-1,8-diphenyl-4H-pyrimido[1,2-b][1,2,4,5]tetrazine-3-carboxylic acid ethyl ester Ethyl 6-oxidanylidene-1,8-diphenyl-4H-pyrimido[1,2-b][1,2,4,5]tetrazine-3-carboxylate Ethyl 6-oxo-1,8-diphenyl-4H-pyrimido[1,2-b][1,2,4,5]tetrazine-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17N5O3
InChI InChI=1S/C20H17N5O3/c1-2-28-19(27)18-22-24(15-11-7-4-8-12-15)20-21-16(13-17(26)25(20)23-18)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,22,23)
InChIKey VSNJCSDBZWADQP-UHFFFAOYSA-N
Molecular Weight 375.388 g/mol
SMILES N1N(C=2N(N=C1C(=O)OCC)C(C=C(N2)c1ccccc1)=O)c1ccccc1
SPLASH splash10-004i-9438000000-42d701484970a3000b38
Source of Spectrum Y-39-48-6
Wiley ID 1528332